N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide

C11H14ClFN2O2S — CID 113411801

IUPACN-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide
SMILESNC1(CNS(=O)(=O)c2cccc(Cl)c2F)CCC1
InChIInChI=1S/C11H14ClFN2O2S/c12-8-3-1-4-9(10(8)13)18(16,17)15-7-11(14)5-2-6-11/h1,3-4,15H,2,5-7,14H2
InChIKeyOHARAWBHELACJE-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.64
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide

N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 113411801) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide
PubChem CID113411801
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC NameN-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide
SMILESNC1(CNS(=O)(=O)c2cccc(Cl)c2F)CCC1
InChIInChI=1S/C11H14ClFN2O2S/c12-8-3-1-4-9(10(8)13)18(16,17)15-7-11(14)5-2-6-11/h1,3-4,15H,2,5-7,14H2
InChIKeyOHARAWBHELACJE-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
N-[(1-aminocyclohexyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088835
N-[(1-aminocycloheptyl)methyl]-3-fluoro-2-nitrobenzenesulfonamide;hydrochloride
CID 119998530
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
N-[(1-aminocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119958821
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-[(1-aminocyclohexyl)methyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119958904
N-[(1-aminocyclohexyl)methyl]-2-chloro-5-cyanobenzenesulfonamide
CID 80697074
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide (CID 113411801) is N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide is NC1(CNS(=O)(=O)c2cccc(Cl)c2F)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is OHARAWBHELACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-8-3-1-4-9(10(8)13)18(16,17)15-7-11(14)5-2-6-11/h1,3-4,15H,2,5-7,14H2.
What are the key properties of N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide?
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 113411801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).